SCHEMBL21801802

SCHEMBL21801802

CC(C)n1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
LPL P06858 10/20 0.40
LIPG Q9Y5X9 10/20 0.40
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
NOTUM Q6P988 1/20 0.35
ESR2 Q92731 1/20 0.35
SNCA P37840 1/20 0.34
LRRK2 Q5S007 1/20 0.33
BACE1 P56817 1/20 0.33
FFAR1 O14842 1/20 0.33
EGFR P00533 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17113535 0.89 IRAK4 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL24873712 0.88 LPL (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL25322666 0.83 MAPT (0.37) IRAK4LPLLIPGIDO1TDO2
Acetic Acid SCHEMBL25322169 0.81 IDO1 (0.37) IRAK4LPLLIPGIDO1TDO2
SCHEMBL5137400 0.81 MAPT (0.49) IRAK4LPLLIPGIDO1TDO2
Acetic Acid SCHEMBL25322175 0.80 IDO1 (0.35) IRAK4LPLLIPGIDO1TDO2
SCHEMBL5076707 0.78 LPL (0.41) IRAK4LPLLIPGIDO1TDO2
SCHEMBL31752127 0.77 IDO1 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL5074870 0.77 MEN1 (0.51) IRAK4LPLLIPGIDO1TDO2
SCHEMBL22041263 0.76 LPL (0.39) IRAK4LPLLIPGIDO1TDO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163048-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-22 US disclosed
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2020055192-A2 PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR 재단법인 대구경북첨단의료산업진흥재단 2020-03-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250163048-A1 COMPOUNDS AND METHODS OF USE RB1, CYP1B1, REN IRAK4 4158/4885LPL 3972/4885LIPG 3859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.